N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C21H23F3N2O — CID 11793931

IUPACN-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)18-8-4-7-17(13-18)14-20(27)25-19-9-11-26(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,25,27)
InChIKeySRGBWTBSEORGCM-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.03
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 11793931) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID11793931
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)18-8-4-7-17(13-18)14-20(27)25-19-9-11-26(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,25,27)
InChIKeySRGBWTBSEORGCM-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AR-M1000390
CID 9841259
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
Figopitant
CID 9914857
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N-(N-benzylpiperidin-4-yl)-4-iodobenzamide
CID 132995
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-isopropyl-piperazin-1-yl)-1-phenyl-cyclohexyl]-propionamide
CID 10210026
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-propionamide
CID 10258336

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 11793931) is N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SRGBWTBSEORGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c22-21(23,24)18-8-4-7-17(13-18)14-20(27)25-19-9-11-26(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11793931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).